Compound Identification
SMILES
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C
InChIKey
InChIKey=UPEZCKBFRMILAV-URDBJVLMSA-N
Formula
C27H44O6
Mass
464.643
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - Cholesterol-skeleton - Cholesterol - Cholestane-skeleton - 25-hydroxysteroid - Ecdysteroid - 22-hydroxysteroid - 14-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Hydroxysteroid - Oxosteroid - 2-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available